Information card for entry 4030392

Structure parameters

• Formula: C28 H24 Br3 N3
• Calculated formula: C28 H24 Br3 N3
• Title of publication: Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.
• Authors of publication: Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 882 - 896
• a: 7.1349 ± 0.0004 Å
• b: 11.2698 ± 0.0005 Å
• c: 16.4853 ± 0.0008 Å
• α: 79.288 ± 0.002°
• β: 87.269 ± 0.003°
• γ: 79.285 ± 0.002°
• Cell volume: 1279.64 ± 0.11 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No